CID 3045729

(+-)-1-(3-methoxyphenyl)-6-azabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C14H19NO
SMILES
COC1=CC=CC(=C1)C23CCCC(C2)NC3
InChI
InChI=1S/C14H19NO/c1-16-13-6-2-4-11(8-13)14-7-3-5-12(9-14)15-10-14/h2,4,6,8,12,15H,3,5,7,9-10H2,1H3
InChIKey
RPACRPKTCVWREU-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

217.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 151.1
[M+Na]+ 240.135888 156.9
[M-H]- 216.139394 153.7
[M+NH4]+ 235.180493 172.6
[M+K]+ 256.109828 152.6
[M+H-H2O]+ 200.143930 144.1
[M+HCOO]- 262.144871 167.6
[M+CH3COO]- 276.160521 162.2
[M+Na-2H]- 238.121336 156.1
[M]+ 217.14612142 146.6
[M]- 217.14721858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe